BDBM50017421 CHEMBL3288290

SMILES: NCCCC[C@H](NC(=O)[C@@H](Cc1cc2ccccc2s1)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N1CCN(CC1)c1ccncc1

InChI Key: InChIKey=FDBAKQVBPQKPKG-SZAHLOSFSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50017421   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50017421 (CHEMBL3288290) Show SMILES NCCCC[C@H](NC(=O)[C@@H](Cc1cc2ccccc2s1)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N1CCN(CC1)c1ccncc1 |r| Show InChI InChI=1S/C40H47N9O5S/c41-16-6-5-10-33(38(52)47-23-21-46(22-24-47)28-12-17-42-18-13-28)43-36(50)34(26-30-25-27-7-1-4-11-35(27)55-30)45-39(53)48-19-14-29(15-20-48)49-37(51)31-8-2-3-9-32(31)44-40(49)54/h1-4,7-9,11-13,17-18,25,29,33-34H,5-6,10,14-16,19-24,26,41H2,(H,43,50)(H,44,54)(H,45,53)/t33-,34+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at CGRP receptor in human SK-N-MC cells assessed as inhibition of alpha-CGRP-induced c-AMP formation after 15 mins by radioimmuno...				Bioorg Med Chem Lett 24: 2744-8 (2014) Article DOI: 10.1016/j.bmcl.2014.04.033 BindingDB Entry DOI: 10.7270/Q2Q241S2
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50017421 (CHEMBL3288290) Show SMILES NCCCC[C@H](NC(=O)[C@@H](Cc1cc2ccccc2s1)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N1CCN(CC1)c1ccncc1 |r| Show InChI InChI=1S/C40H47N9O5S/c41-16-6-5-10-33(38(52)47-23-21-46(22-24-47)28-12-17-42-18-13-28)43-36(50)34(26-30-25-27-7-1-4-11-35(27)55-30)45-39(53)48-19-14-29(15-20-48)49-37(51)31-8-2-3-9-32(31)44-40(49)54/h1-4,7-9,11-13,17-18,25,29,33-34H,5-6,10,14-16,19-24,26,41H2,(H,43,50)(H,44,54)(H,45,53)/t33-,34+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from CGRP receptor in human SK-N-MC cell membranes after 2 hrs by scintillation counting analysis				Bioorg Med Chem Lett 24: 2744-8 (2014) Article DOI: 10.1016/j.bmcl.2014.04.033 BindingDB Entry DOI: 10.7270/Q2Q241S2
					More data for this Ligand-Target Pair